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CHEBI:72479 - halistanol sulfonic acid G

ChEBI IDCHEBI:72479
ChEBI Namehalistanol sulfonic acid G
Stars
DefinitionA steroid sulfate that is 5α-ergostane substituted by sulfate groups at positions 2, 3 and 6 (the (2β,3α,6α stereoisomer).
Last Modified18 February 2013
Submitternamrata
DownloadsMolfile
FormulaC28H50O12S3
Net Charge0
Average Mass674.897
Monoisotopic Mass674.24644
SMILES[H][C@@]12C[C@H](OS(=O)(=O)O)[C@@]3([H])C[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)C[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CC[C@H](C)C(C)C
InChIInChI=1S/C28H50O12S3/c1-16(2)17(3)7-8-18(4)20-9-10-21-19-13-24(38-41(29,30)31)23-14-25(39-42(32,33)34)26(40-43(35,36)37)15-28(23,6)22(19)11-12-27(20,21)5/h16-26H,7-15H2,1-6H3,(H,29,30,31)(H,32,33,34)(H,35,36,37)/t17-,18+,19-,20+,21-,22-,23+,24-,25-,26-,27+,28+/m0/s1
InChIKeyWBHAMVHLRVKJRH-VZAWWNCJSA-N
Roles Classification
Biological Roles:
anti-HIV-2 agent  An anti-HIV agent that destroys or inhibits the replication of HIV-2, the less infective and less virulent of the two types of HIV virus.
anti-HIV-1 agent  An anti-HIV agent that destroys or inhibits the replication of HIV-1, the more infective and more virulent of the two types of HIV virus.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
halistanol sulfonic acid G (CHEBI:72479) has parent hydride 5α-ergostane (CHEBI:20652)
halistanol sulfonic acid G (CHEBI:72479) has role anti-HIV-1 agent (CHEBI:64947)
halistanol sulfonic acid G (CHEBI:72479) has role anti-HIV-2 agent (CHEBI:64949)
halistanol sulfonic acid G (CHEBI:72479) has role metabolite (CHEBI:25212)
halistanol sulfonic acid G (CHEBI:72479) is a steroid sulfate (CHEBI:16158)
halistanol sulfonic acid G (CHEBI:72479) is conjugate acid of halistanol sulfate G(3−) (CHEBI:72478)
Incoming Relation(s)
halistanol sulfate G(3−) (CHEBI:72478) is conjugate base of halistanol sulfonic acid G (CHEBI:72479)
IUPAC Name 
(2β,3α,5α,6α)-ergostane-2,3,6-triyl tris(hydrogen sulfate)